iterations/neb0_image09_iter189_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.374289666209E+03 0.37429E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.325241815269E+01 -0.37104E+03 -0.35831E+03 869 0.196E+02
DAV: 3 -0.966504576199E+02 -0.99903E+02 -0.99570E+02 653 0.117E+02
DAV: 4 -0.101266484029E+03 -0.46160E+01 -0.46053E+01 720 0.291E+01
DAV: 5 -0.101357408787E+03 -0.90925E-01 -0.90884E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926811378354E+02 0.86763E+01 -0.30938E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918099787804E+02 0.87116E+00 -0.17210E+00 728 0.613E+00 0.479E+00
DAV: 8 -0.914343564917E+02 0.37562E+00 -0.54278E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913530035603E+02 0.81353E-01 -0.13135E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913447584220E+02 0.82451E-02 -0.44349E-02 776 0.110E+00 0.300E-01
DAV: 11 -0.913490930501E+02 -0.43346E-02 -0.11718E-02 616 0.565E-01 0.131E-01
DAV: 12 -0.913523495029E+02 -0.32565E-02 -0.29308E-03 615 0.244E-01 0.112E-01
DAV: 13 -0.913558999135E+02 -0.35504E-02 -0.13043E-03 725 0.201E-01 0.419E-02
DAV: 14 -0.913590060057E+02 -0.31061E-02 -0.58398E-04 664 0.126E-01 0.376E-02
DAV: 15 -0.913606228900E+02 -0.16169E-02 -0.15332E-04 696 0.812E-02 0.333E-02
DAV: 16 -0.913619529138E+02 -0.13300E-02 -0.32092E-04 664 0.866E-02 0.190E-02
DAV: 17 -0.913623185062E+02 -0.36559E-03 -0.71087E-05 728 0.589E-02 0.122E-02
DAV: 18 -0.913625645778E+02 -0.24607E-03 -0.38741E-05 581 0.265E-02 0.101E-02
DAV: 19 -0.913626213979E+02 -0.56820E-04 -0.80489E-06 496 0.163E-02 0.491E-03
DAV: 20 -0.913626543432E+02 -0.32945E-04 -0.10249E-05 424 0.205E-02 0.243E-03
DAV: 21 -0.913626683056E+02 -0.13962E-04 -0.30388E-06 464 0.868E-03 0.310E-03
DAV: 22 -0.913626722424E+02 -0.39368E-05 -0.58192E-07 472 0.464E-03
1 F= -.91362672E+02 E0= -.91367497E+02 d E =0.144752E-01